N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

C12H24N2S — CID 106639574

IUPACN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCSCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C12H24N2S/c1-15-8-7-14(12-4-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3
InChIKeyFEJUEXRNJJJCNK-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds6

About N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639574) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639574
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCSCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C12H24N2S/c1-15-8-7-14(12-4-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3
InChIKeyFEJUEXRNJJJCNK-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
3,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propylcyclohexan-1-amine
CID 106625170
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-ethyl-4-methylsulfanyl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 106624526
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639574) is N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is CSCCN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is FEJUEXRNJJJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-15-8-7-14(12-4-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).